Optimised PDB entry 4jvf



Warnings!

Structure
SpacegroupP 32 2 1
Cell dimensionsa: 55.910 Åb: 55.910 Åc: 116.670 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.40 Å

Experimental data
ReflectionsAll: 8659Test set: 0 (0.0%)
Resolution range27.95 Å2.40 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20700.21130.22650.2208
R-free0.25700.20340.25120.2481
σR-free 0.00680.00840.0083
Z(R-free) 10.665.314.84

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality11.5461.6001.572
2nd generation packing quality1-0.231-0.0430.029
Ramachandran plot appearance11.1091.4561.336
Chi-1/Chi-2 rotamer normality1-3.837-2.420-0.450
Backbone conformation12.3692.2972.354
Bond length RMS Z-score20.9130.3560.340
Bond angle RMS Z-score20.9190.6230.582
Total number of bumps31568
Unsatisfied H-bond donors/acceptors3757
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues1
Significantly deteriorated residues3
Changes of all residuesPlot

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